I have been working to develop and debug the program package known as AMBER. AMBER is among the most widely-distributed modeling software packages in the world. My efforts have included: 1) adding facilities to the program which allow one to better test the convergence of free energy calculations performed with AMBER; 2) adding facilities which make AMBER an easier-to-use program; 3) Bugfixes and improvements to existing code. The facilities of the Computer Graphics Laboratory have been critical in providing a facility for developing and testing AMBER. In addition, the resources at the Computer Graphics Laboratory serve the critical function of helping in the distribution and maintanance of AMBER to the many academic sites who use the program. Distribution of a program like AMBER is complicated, and involves both the initial distribution of code and documentation, and subsequent support (tracking down bugs, issuing bugfixes, etc.). The first-rate facilities at the Computer Graphics Lab, including high-speed direct connections to the outside world, as well as access to a very wide diversity of hardware, make supporting the program considerably easier.
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